SCHEMBL19908008

SCHEMBL19908008

COc1cc(C)c(Nc2nc(=O)c(C=N)cn2Cc2ccc(F)c(F)c2)cc1C

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22420562 0.90 P2RX7 (0.70) P2RX7
SCHEMBL19906839 0.89 P2RX7 (0.90) P2RX7
SCHEMBL20106877 0.85 P2RX7 (0.73) P2RX7
SCHEMBL19907208 0.84 P2RX7 (1.00) P2RX7
SCHEMBL19907105 0.84 P2RX7 (0.89) P2RX7
SCHEMBL19906748 0.84 P2RX7 (0.81) P2RX7
SCHEMBL22420563 0.84 P2RX7 (0.72) P2RX7
SCHEMBL19907501 0.83 P2RX7 (0.84) P2RX7
SCHEMBL19907777 0.83 P2RX7 (0.87) P2RX7
SCHEMBL19906685 0.83 P2RX7 (0.82) P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287443-A1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Shionogi & Co., Ltd (JP) 2018-02-28 EP disclosed